UCSF

ZINC67802910

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 18 Yes

Other Names:

MFCD19982705

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.38 3.77 -48.19 2 5 1 55 257.354 4
Hi High (pH 8-9.5) 1.38 2.55 -6.77 1 5 0 51 256.346 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )